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Back ChemicalBook Home>CAS DataBase List>527-72-0More Spectrum> 2-Thiophenecarboxylic acid(527-72-0) 1H NMR

2-Thiophenecarboxylic acid(527-72-0) 1H NMR

Molecular FormulaC5H4O2S

Molecular Weight128.15

InChIInChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)

InChIKey QERYCTSHXKAMIS-UHFFFAOYSA-N

SmilesC1(C(O)=O)SC=CC=1


  • Mass

    MS-NW-1396          
    2-thiophenecarboxylic acid
    C5H4O2S             (Mass of molecular ion:    128)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.5
          26.0       1.2
          28.0       1.5
          37.0       3.9
          38.0       6.2
          39.0      38.7
          40.0       1.6
          41.0       1.0
          44.0       2.4
          45.0      15.5
          49.0       1.6
          50.0       4.2
          51.0       1.1
          53.0       1.8
          57.0       9.5
          58.0       6.1
          69.0       1.7
          81.0       3.4
          82.0       3.9
          83.0      10.2
          84.0       1.7
         100.0       2.0
         111.0     100.0
         112.0       6.2
         113.0       4.8
         128.0      86.3
         129.0       5.5
         130.0       4.4
    

parameter in acetone-d6


  • 1H NMR 300 MHz
    C5 H4 O2 S in acetone-d6
    2-thiophenecarboxylic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.80 D(B) 7.15 D(C) 7.78 J(A,B) 3.67 J(A,C) 1.16 J(B,C) 5.03 D(D) 9.56 FRINGUELLI,F. ET AL. ACTA CHEM.SCAND. B 28, 175 (1974)

         Hz     ppm     Int.
    

       2868.01   9.560   1000
       2342.49   7.808    230
       2341.36   7.805    326
       2338.82   7.796    264
       2337.62   7.792    425
       2337.14   7.790    419
       2335.92   7.786    243
       2332.05   7.773    329
       2330.92   7.770    244
       2149.29   7.164    266
       2145.62   7.152    274
       2144.28   7.148    270
       2140.62   7.135    243
    

KBr disc



nujol mull





2-Thiophenecarboxylic acid(527-72-0) 1H NMR Atlas of Related Products

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